2-(4-bromophenyl)-5,5-diethyl-1,2,4-triazolidin-3-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5,5-diethyl-1,2,4-triazolidin-3-one
2-(4-bromophenyl)-5,5-diethyl-1,2,4-triazolidin-3-one
Compound characteristics
| Compound ID: | J063-0223 |
| Compound Name: | 2-(4-bromophenyl)-5,5-diethyl-1,2,4-triazolidin-3-one |
| Molecular Weight: | 298.18 |
| Molecular Formula: | C12 H16 Br N3 O |
| Smiles: | CCC1(CC)NC(N(c2ccc(cc2)[Br])N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5137 |
| logD: | 3.5137 |
| logSw: | -3.5091 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.967 |
| InChI Key: | DKGLYFBXGRZGEV-UHFFFAOYSA-N |